8UN5

KRAS-G13D-GDP in complex with Cpd38 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one)

Summary for 8UN5

• Entry DOI: 10.2210/pdb8un5/pdb
• Descriptor: GTPase KRas, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... (6 entities in total)
• Functional Keywords: gtpase, kras, g13d, oncogenic, ribosome, hydrolase, oncoprotein-inhibitor complex, oncoprotein/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 41128.86

Authors

Ultsch, M.H. (deposition date: 2023-10-18, release date: 2023-12-20, Last modification date: 2024-01-31)

• Primary citation: Nilewski, C.,Labadie, S.,Wei, B.,Malhotra, S.,Do, S.,Gazzard, L.,Liu, L.,Shao, C.,Murray, J.,Izrayelit, Y.,Gustafson, A.,Endres, N.F.,Ma, F.,Ye, X.,Zou, J.,Evangelista, M.; Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.; Acs Med.Chem.Lett., 15:21-28, 2024; PubMed: 38229748; DOI: 10.1021/acsmedchemlett.3c00478

Experimental method

X-RAY DIFFRACTION (1.31 Å)